| Autor: |
Bartashevich, E. V., Potemkin, V. A., Beresnev, D. G., Rusinov, G. L., Chupakhin, O. N. |
| Předmět: |
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| Zdroj: |
Russian Journal of General Chemistry; May2003, Vol. 73 Issue 5, p816-820, 5p |
| Abstrakt: |
3-Methylthio- and 3-amino-1,2,4-triazines react with resorcinol to give benzofurotetrahydrotriazine derivatives, while reactions of [1,2,4]triazolo[4,3-b]- and tetrazolo[1,5-b][1,2,4]triazines with resorcinol stop at the stage of resorcinol addition. According to the results of quantum-chemical calculations, the possibility for further cyclization of the resorcinol addition products is determined by the following factors: tautomeric and conformational states of the compounds, which ensure spatial proximity of the hydroxy group to the cyclization center (C6); charges on the C6 atom of the triazine ring and oxygen atom of the resorcinol fragment in the conformation most favorable for cyclization; and energies of the highest occupied and lowest unoccupied molecular orbitals of the resorcinol addition products. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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